Publication: Zhang et al (2024) - Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules

Data related to Zhang, C., Lipparini, F, Stopkowicz, S., Gauss & J., Cheng (2024): J. Chem. Theory Comput. 20, 787-798. Doi: 10.1021/acs.jctc.3c01236

Data and Resources

Field	Value
Publication(s)	Publication 1 Title of related publication Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules Year of related publication 2024 DOI of related publication (not DOI of data resources) 10.1021/acs.jctc.3c01236
Funding	DFG Project No. 233630050-TRR146
Subproject	Project B5: Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
Cooperation partner(s)	Johannes Gutenberg University Mainz
Responsible Person's Name (PI)	Prof. Dr. Jürgen Gauss
Responsible Person's Email for further data requests	gauss@uni-mainz.de
Responsible Person's Affiliation	Department of Chemistry, Johannes Gutenberg University Mainz, Germany